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Chlorine in PDB 6qgb: Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid

Enzymatic activity of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid

All present enzymatic activity of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid:
3.1.1.102;

Protein crystallography data

The structure of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid, PDB code: 6qgb was solved by G.J.Palm, L.Reisky, D.Boettcher, H.Mueller, E.A.P.Michels, C.Walczak, L.Berndt, M.S.Weiss, U.T.Bornscheuer, G.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.09 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 111.141, 184.048, 247.441, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 21.4

Other elements in 6qgb:

The structure of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid also contains other interesting chemical elements:

Calcium (Ca) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid (pdb code 6qgb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid, PDB code: 6qgb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6qgb

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Chlorine binding site 1 out of 8 in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl703

b:50.2
occ:1.00
 N A:GLY147 3.5 26.2 1.0
CA A:GLY147 3.7 26.6 1.0
O A:HOH1073 3.9 35.0 1.0
CA A:GLY145 3.9 24.8 1.0
C A:GLY145 4.1 25.2 1.0
N A:GLY146 4.3 25.4 1.0
O A:GLY145 4.6 25.3 1.0
C A:GLY147 4.6 26.7 1.0
N A:GLN148 4.7 26.3 1.0
N A:GLY145 4.7 24.6 1.0
C A:GLY146 4.7 26.2 1.0
OG A:SER143 4.8 31.1 1.0

Chlorine binding site 2 out of 8 in 6qgb

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Chlorine binding site 2 out of 8 in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl704

b:59.8
occ:1.00
 N A:ASP590 3.6 36.4 1.0
ND2 A:ASN596 3.8 35.3 1.0
CA A:GLY589 3.9 37.8 1.0
CB A:ASP590 4.2 38.2 1.0
C A:GLY589 4.3 36.9 1.0
CA A:ASP590 4.5 35.7 1.0
OD1 A:ASN596 4.5 36.2 1.0
CG A:ASN596 4.6 35.4 1.0

Chlorine binding site 3 out of 8 in 6qgb

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Chlorine binding site 3 out of 8 in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl804

b:65.2
occ:1.00
 O B:HOH1077 3.1 49.7 1.0
O B:GLY516 3.9 27.2 1.0
NZ B:LYS483 3.9 27.4 1.0
C B:GLY516 4.0 27.0 1.0
O B:HOH1241 4.3 37.5 1.0
CA B:GLY516 4.3 27.6 1.0
CG B:ARG478 4.4 27.2 1.0
O B:HOH995 4.5 27.1 1.0
N B:PHE517 4.6 26.4 1.0
CB B:PHE517 4.6 26.0 1.0
CD B:ARG478 4.7 27.6 1.0
O B:HOH1208 4.9 43.8 1.0

Chlorine binding site 4 out of 8 in 6qgb

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Chlorine binding site 4 out of 8 in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl703

b:49.5
occ:1.00
 N C:ASP590 3.4 45.1 1.0
ND2 C:ASN596 3.8 42.1 1.0
CB C:ASP590 3.9 46.5 1.0
CA C:GLY589 4.0 47.2 1.0
C C:GLY589 4.3 46.0 1.0
CA C:ASP590 4.3 44.2 1.0
OD1 C:ASN596 4.6 43.0 1.0
CG C:ASN596 4.6 42.1 1.0

Chlorine binding site 5 out of 8 in 6qgb

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Chlorine binding site 5 out of 8 in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl703

b:53.9
occ:1.00
 NE1 D:TRP378 3.7 30.1 1.0
O D:HOH1046 3.7 33.1 1.0
O D:HOH803 3.7 31.2 1.0
O D:PHE324 3.9 31.3 1.0
O D:HOH1105 4.1 42.2 1.0
CE D:LYS358 4.2 35.3 1.0
CZ2 D:TRP378 4.3 30.5 1.0
CE2 D:TRP378 4.4 30.1 1.0
CA D:ASP325 4.4 32.9 1.0
CG D:ASP325 4.5 34.2 1.0
CB D:ASP325 4.6 33.5 1.0
CD D:PRO326 4.6 33.0 1.0
OD1 D:ASP325 4.7 34.4 1.0
OD2 D:ASP325 4.7 34.7 1.0
CG D:LYS358 4.7 33.6 1.0
O D:HOH1092 4.8 36.1 1.0
CD1 D:TRP378 4.8 29.8 1.0
C D:PHE324 4.9 31.6 1.0
CD D:LYS358 4.9 35.0 1.0
NZ D:LYS358 5.0 36.8 1.0

Chlorine binding site 6 out of 8 in 6qgb

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Chlorine binding site 6 out of 8 in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl703

b:73.4
occ:1.00
 NH2 E:ARG519 3.4 27.0 1.0
N E:GLY516 3.6 26.8 1.0
O E:ALA515 3.7 26.4 1.0
C E:ALA515 3.7 26.5 1.0
CA E:GLY516 3.7 27.0 1.0
CB E:ALA515 4.2 26.6 1.0
CZ E:ARG519 4.5 26.6 1.0
CA E:ALA515 4.5 26.4 1.0
O E:HOH869 4.6 32.0 1.0
NE E:ARG519 4.8 26.2 1.0

Chlorine binding site 7 out of 8 in 6qgb

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Chlorine binding site 7 out of 8 in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl703

b:47.0
occ:1.00
 N F:ASP77 3.7 35.2 1.0
CA F:ARG76 4.0 41.8 1.0
CD F:ARG76 4.1 41.8 1.0
O F:TRP75 4.3 43.0 1.0
NH1 F:ARG76 4.4 44.7 1.0
C F:ARG76 4.4 42.6 1.0
CB F:ASP77 4.5 37.8 1.0
CB F:ARG76 4.5 40.9 1.0
OD2 F:ASP77 4.5 45.0 1.0
CG F:ASP77 4.7 41.9 1.0
CA F:ASP77 4.7 35.4 1.0
CG F:ARG76 5.0 40.1 1.0

Chlorine binding site 8 out of 8 in 6qgb

Go back to Chlorine Binding Sites List in 6qgb
Chlorine binding site 8 out of 8 in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to Benzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl704

b:50.2
occ:1.00
 N F:ASP590 3.5 40.8 1.0
ND2 F:ASN596 3.7 39.4 1.0
CA F:GLY589 4.0 43.5 1.0
CB F:ASP590 4.1 39.3 1.0
C F:GLY589 4.3 41.4 1.0
CA F:ASP590 4.5 39.2 1.0
OD1 F:ASN596 4.5 41.2 1.0
CG F:ASN596 4.6 39.5 1.0

Reference:

G.J.Palm, L.Reisky, D.Bottcher, H.Muller, E.A.P.Michels, M.C.Walczak, L.Berndt, M.S.Weiss, U.T.Bornscheuer, G.Weber. Structure of the Plastic-Degrading Ideonella Sakaiensis Mhetase Bound to A Substrate. Nat Commun V. 10 1717 2019.
ISSN: ESSN 2041-1723
PubMed: 30979881
DOI: 10.1038/S41467-019-09326-3
Page generated: Mon Jul 29 13:56:51 2024

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